tetrakis(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-λ5-phosphane);4-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;5-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;5-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(iridium)

C124H92F16Ir4N32O8P8-4 — CID 161459702

About tetrakis(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-λ5-phosphane);4-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;5-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;5-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(iridium)

tetrakis(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-λ5-phosphane);4-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;5-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;5-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(iridium) (PubChem CID 161459702) has the molecular formula C124H92F16Ir4N32O8P8-4 and a molecular weight of 3478.94 g/mol. Its IUPAC name is tetrakis(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-λ5-phosphane);4-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;5-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;5-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(iridium).

Molecular Properties

• Compound Name: tetrakis(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-λ5-phosphane);4-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;5-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;5-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(iridium)
• PubChem CID: 161459702
• Molecular Formula: C124H92F16Ir4N32O8P8-4
• Molecular Weight: 3478.94 g/mol
• Exact Mass: 3480.40
• IUPAC Name: tetrakis(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-λ5-phosphane);4-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;5-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;5-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(iridium)
• SMILES: Cc1cc(-c2ncc(F)cn2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2nccc(F)n2)[c-]c(C(F)(F)F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1ncc(F)cn1.Cc1nc(C(F)(F)F)c[c-]c1-c1nccc(F)n1.O=P(N=P(O)(c1ccncc1)c1ccncc1)(c1ccncc1)c1ccncc1.O=P(N=P(O)(c1ccncc1)c1ccncc1)(c1ccncc1)c1ccncc1.O=P(N=P(O)(c1ccncc1)c1ccncc1)(c1ccncc1)c1ccncc1.O=P(N=P(O)(c1ccncc1)c1ccncc1)(c1ccncc1)c1ccncc1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/4C20H17N5O2P2.4C11H6F4N3.4Ir/c4*26-28(17-1-9-21-10-2-17,18-3-11-22-12-4-18)25-29(27,19-5-13-23-14-6-19)20-7-15-24-16-8-20;1-6-2-7(3-9(18-6)11(13,14)15)10-16-4-8(12)5-17-10;1-6-8(10-16-4-7(12)5-17-10)2-3-9(18-6)11(13,14)15;1-6-4-7(5-8(17-6)11(13,14)15)10-16-3-2-9(12)18-10;1-6-7(10-16-5-4-9(12)18-10)2-3-8(17-6)11(13,14)15;;;;/h4*1-16,26H;2,4-5H,1H3;3-5H,1H3;2-4H,1H3;3-5H,1H3;;;;/q;;;;4*-1
• InChIKey: SWFGUJIDWTWIDQ-UHFFFAOYSA-N
• XLogP: 20.23
• TPSA: 559.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 24
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3478.94
LogP ≤ 5	20.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrakis(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-λ5-phosphane);4-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;5-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;5-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(iridium)?

The IUPAC name of tetrakis(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-λ5-phosphane);4-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;5-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;5-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(iridium) (CID 161459702) is tetrakis(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-λ5-phosphane);4-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;5-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;5-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(iridium).

What is the SMILES notation for tetrakis(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-λ5-phosphane);4-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;5-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;5-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(iridium)?

The canonical SMILES for tetrakis(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-λ5-phosphane);4-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;5-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;5-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(iridium) is Cc1cc(-c2ncc(F)cn2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2nccc(F)n2)[c-]c(C(F)(F)F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1ncc(F)cn1.Cc1nc(C(F)(F)F)c[c-]c1-c1nccc(F)n1.O=P(N=P(O)(c1ccncc1)c1ccncc1)(c1ccncc1)c1ccncc1.O=P(N=P(O)(c1ccncc1)c1ccncc1)(c1ccncc1)c1ccncc1.O=P(N=P(O)(c1ccncc1)c1ccncc1)(c1ccncc1)c1ccncc1.O=P(N=P(O)(c1ccncc1)c1ccncc1)(c1ccncc1)c1ccncc1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of tetrakis(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-λ5-phosphane);4-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;5-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;5-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(iridium)?

The InChIKey is SWFGUJIDWTWIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C20H17N5O2P2.4C11H6F4N3.4Ir/c4*26-28(17-1-9-21-10-2-17,18-3-11-22-12-4-18)25-29(27,19-5-13-23-14-6-19)20-7-15-24-16-8-20;1-6-2-7(3-9(18-6)11(13,14)15)10-16-4-8(12)5-17-10;1-6-8(10-16-4-7(12)5-17-10)2-3-9(18-6)11(13,14)15;1-6-4-7(5-8(17-6)11(13,14)15)10-16-3-2-9(12)18-10;1-6-7(10-16-5-4-9(12)18-10)2-3-8(17-6)11(13,14)15;;;;/h4*1-16,26H;2,4-5H,1H3;3-5H,1H3;2-4H,1H3;3-5H,1H3;;;;/q;;;;4*-1;;;;.

What are the key properties of tetrakis(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-λ5-phosphane);4-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;5-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;5-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(iridium)?

tetrakis(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-λ5-phosphane);4-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;5-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;5-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(iridium) has a molecular weight of 3478.94 g/mol, XLogP of 20.23, 24 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(dipyridin-4-ylphosphorylimino-hydroxy-dipyridin-4-yl-λ5-phosphane);4-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;5-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;5-fluoro-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;tetrakis(iridium) is sourced from PubChem (CID 161459702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).